CID 77185

63589-22-0

Structural Information

Molecular Formula
C16H12N2O9S2
SMILES
C1=CC(=C(C=C1O)O)N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O
InChI
InChI=1S/C16H12N2O9S2/c19-9-1-2-12(14(20)5-9)17-18-13-6-10(28(22,23)24)3-8-4-11(29(25,26)27)7-15(21)16(8)13/h1-7,19-21H,(H,22,23,24)(H,25,26,27)
InChIKey
BTEWRTUJKSQHIE-UHFFFAOYSA-N
Compound name
4-[(2,4-dihydroxyphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

439.9984 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.00568 190.9
[M+Na]+ 462.98762 197.7
[M-H]- 438.99112 194.0
[M+NH4]+ 458.03222 198.2
[M+K]+ 478.96156 193.0
[M+H-H2O]+ 422.99566 183.7
[M+HCOO]- 484.99660 199.9
[M+CH3COO]- 499.01225 222.4
[M+Na-2H]- 460.97307 199.1
[M]+ 439.99785 195.8
[M]- 439.99895 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe